Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50250397'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50250397 (CHEMBL4078598) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r| Show InChI InChI=1S/C55H63N7O6/c63-50-39-61(34-16-29-42-22-9-3-10-23-42)55(68)49-32-17-35-62(49)54(67)48(37-44-28-15-33-56-38-44)60-52(65)46(31-14-27-41-20-7-2-8-21-41)58-53(66)47(36-43-24-11-4-12-25-43)59-51(64)45(57-50)30-13-26-40-18-5-1-6-19-40/h1-12,15,18-25,28,33,38,45-49H,13-14,16-17,26-27,29-32,34-37,39H2,(H,57,63)(H,58,66)(H,59,64)(H,60,65)/t45-,46-,47+,48-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50250397 (CHEMBL4078598) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r| Show InChI InChI=1S/C55H63N7O6/c63-50-39-61(34-16-29-42-22-9-3-10-23-42)55(68)49-32-17-35-62(49)54(67)48(37-44-28-15-33-56-38-44)60-52(65)46(31-14-27-41-20-7-2-8-21-41)58-53(66)47(36-43-24-11-4-12-25-43)59-51(64)45(57-50)30-13-26-40-18-5-1-6-19-40/h1-12,15,18-25,28,33,38,45-49H,13-14,16-17,26-27,29-32,34-37,39H2,(H,57,63)(H,58,66)(H,59,64)(H,60,65)/t45-,46-,47+,48-,49+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair